叔丁基异氰酸酯(1609-86-5)质谱(MS)
InChI:InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChIKey: MGOLNIXAPIAKFM-UHFFFAOYSA-N
Smiles:CC(N=C=O)(C)C
-
Mass
MS-NW-2970
tert-butyl isocyanate
C5H9NO (Mass of molecular ion: 99)
Source Temperature: 280 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 8.0
26.0 1.5
27.0 5.8
28.0 7.0
29.0 10.1
39.0 6.0
40.0 2.9
41.0 17.1
42.0 2.9
43.0 1.1
54.0 1.1
55.0 2.1
56.0 26.4
57.0 7.5
84.0 100.0
85.0 5.0
-
| 1H NMR |
300 MHz |
| C5 H9 N O
|
0.04 ml : 0.5 ml CDCl3
|
| tert-butyl isocyanate
|
 |
Parameter ppm Hz
D(A) 1.363
|
Hz ppm Int.
408.90 1.363 1000
TUNGSTEN(II) COMPLEX, IN CH2CL2